137-08-6

• 常用中文名：维生素B5
• 常用英文名：Calcium pantothenate
• CAS号：137-08-6
• 分子式：C₉H₁₆NO_5.1/₂Ca
• 分子量：238.27
• 相关类别： 医药中间体 杂环化合物 噻吩类化合物
• 发布时间：2018-02-06 08:00:00
• 更新时间：2024-01-02 19:30:45
• 维生素B5 (D-Pantothenic acid hemicalcium salt)是一种水溶性维生素, 能够减少苹果汁中的棒曲霉素。

名称

• 中文名: 泛酸钙
• 英文名: D-(+)-Pantothenic acid calcium salt
• 中文别名: 维生素B5; (R)-(+)-N-(2,4-二羟基-3,3-二甲基-1-氧代丁基)-β-丙氨酸钙盐
• 英文别名: VITAMIN B3/B5; panthoject; (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine calcium salt; D-Pantothenic acid calcium salt; DL-Calcium; Calcium D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alaninate; calcium Pantothenate; EINECS 205-278-9; D-calcium pantothenate; dl-calcium pantothenate; N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alanine Calcium Salt; calpanate; Calpan; Pantholin; VITAMIN B5; β-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1); pancal; calcium d-pantothenate; MFCD00002766; Calcium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate; Calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate); D-Pantothenic acid (hemicalcium salt)

物化性质

• 密度: 1.266g/cm3
• 沸点: 551.5ºC at 760 mmHg
• 熔点: 190 °C
• 分子式: C₉H₁₆NO_5.1/₂Ca
• 分子量: 238.27
• 闪点: 145 °C
• PSA: 191.72000
• 外观性状: 白色结晶粉末
• 折射率: 27 ° (C=5, H2O)
• 储存条件:

  储存于阴凉干燥处。

• 稳定性:

  D-泛酸钙具有维生素的生理活性，L-泛酸钙则无生理活性。D-泛酸钙参与蛋白质、脂肪、糖在体内的新陈代谢。

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：6

  3、 氢键受体数量：10

  4、 可旋转化学键数量：10

  5、 互变异构体数量：3

  6、 拓扑分子极性表面积（TPSA）：219

  7、 重原子数量：31

  8、 表面电荷：0

  9、 复杂度：233

  10、同位素原子数量：0

  11、确定原子立构中心数量：2

  12、不确定原子立构中心数量：0

  13、确定化学键立构中心数量：0

  14、不确定化学键立构中心数量：0

  15、共价键单元数量：3

• 更多:

  1. 性状：白色针状结晶或粉末。稍有甜味，但转而微苦，具有中等吸湿性，对空气和光稳定。水解的程度取决于pH值，pH在5-7之间的水溶液最稳定，热压消毒时水溶液不稳定，因此，必须采用过滤灭菌的方法消毒。

  2. 熔点（分解，℃）：195-196

  3. PH 每克本品溶于2.8毫升水，水溶液pH7.2-8.0。

  4. 溶解性：溶于甘油，微溶于乙醇和丙酮。 具吸湿性，对空气和光稳定。

生物活性

• 描述: 维生素B5 (D-Pantothenic acid hemicalcium salt)是一种水溶性维生素, 能够减少苹果汁中的棒曲霉素。
• 相关类别:
  信号通路 >> 其他 >> 其他
  天然产物 >> 其他
  研究领域 >> 其他
• 参考文献:

  [1]. Weimann BI, et al. Studies on wound healing: effects of calcium D-pantothenate on the migration, proliferation and protein synthesis of human dermal fibroblasts in culture. Int J Vitam Nutr Res. 1999 Mar;69(2):113-9.

  [2]. Serafettin Yazici, et al. Effect of thiamine hydrochloride, pyridoxine hydrochloride and calcium-d-pantothenate on the patulin content of apple juice concentrate. Food / NahrungVolume 46, Issue 4, pages 256–257, 1 July 2002

MSDS

Name: D-(+)-Pantothenic Acid Calcium Salt Material Safety Data Sheet Synonym: Dextrocalcium Pantothenate; Pantothenate Calciu CAS: 137-08-6 Section 1 - Chemical Product MSDS Name:D-(+)-Pantothenic Acid Calcium Salt Material Safety Data Sheet Synonym:Dextrocalcium Pantothenate; Pantothenate Calciu Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 137-08-6 DIHYDROXYDIMETHYLOXOBU 100.0 205-278-9 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Light sensitive.Air sensitive.Moisture sensitive. Potential Health Effects Eye: Contact may cause transient eye irritation. Skin: May cause skin irritation. Low hazard for usual industrial handling. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Low hazard for usual industrial handling. Inhalation: May cause respiratory tract irritation. Low hazard for usual industrial handling. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Get medical aid if irritation or symptoms occur. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Dusts at sufficient concentrations can form explosive mixtures with air. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Avoid contact with air and sunlight. Keep from contact with moist air and steam. Storage: Do not store in direct sunlight. Keep refrigerated. (Store below 4C/39F.) Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. Store protected from light and air. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 137-08-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: none reported pH: 7.2-8.0, 5% solution Vapor Pressure: Negligible. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 195 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Soluble in water. Specific Gravity/Density: Not available. Molecular Formula: (C9H16NO5)2Ca Molecular Weight: 476.3114 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: High temperatures, incompatible materials, light, dust generation, exposure to air, excess heat, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 137-08-6: RU4375000 LD50/LC50: CAS# 137-08-6: Oral, mouse: LD50 = 10 gm/kg; Oral, rat: LD50 = >10 gm/kg. Carcinogenicity: DIHYDROXYDIMETHYLOXOBU - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 137-08-6: 0 Canada CAS# 137-08-6 is listed on Canada's DSL List. CAS# 137-08-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 137-08-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性数据： 大鼠经口LD50:>10mg/kg 大鼠腹腔LD50：820mg/kg 大鼠皮肤LD50：3400mg/kg 大鼠静脉LD50：830mg/kg 小鼠经口LC50：10mg/kg 小鼠腹腔LC50：920mg/kg 小鼠皮肤LCLo：2700 mg/kg 小鼠静脉LC50：910mg/kg CHEMICAL IDENTIFICATION RTECS NUMBER : RU4375000 CAS REGISTRY NUMBER : 137-08-6 LAST UPDATED : 199701 DATA ITEMS CITED : 11 MOLECULAR FORMULA : C18-H32-N2-O10.Ca MOLECULAR WEIGHT : 476.60 WISWESSER LINE NOTATION : QV2MVYQX1&1&1Q &-CA- HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >10 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,599,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 820 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 45,311,1940 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3400 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 45,311,1940 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 830 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,599,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 10 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,599,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 920 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 45,311,1940 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2700 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 45,311,1940 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 910 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 45,311,1940 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83849 No. of Facilities: 398 (estimated) No. of Industries: 7 No. of Occupations: 22 No. of Employees: 19095 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83849 No. of Facilities: 1870 (estimated) No. of Industries: 10 No. of Occupations: 35 No. of Employees: 29697 (estimated) No. of Female Employees: 7601 (estimated)

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 1
• RTECS号: RU4375000
• 海关编码: 2936240000

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制备

1、由异丁醛经甲醛羟甲基化、加成、水解、酸化、内酯化、酰化、加成而得。

2、由丙烯腈、氨、氢氧化钠、氧化钙反应生成的β-氨基丙酸钙与由异丁醛、甲醛、氰化钠反应生成的α-羟基-β,β-二甲基-γ-丁内酯制得DL-泛酸钙，再经拆分制得。

海关

海关编码	2924199090
中文概述	2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%